| SpectraBase Compound ID | G5V0sz4wg6o |
|---|---|
| InChI | InChI=1S/C39H54O5/c1-34(2)18-20-39(24-40)21-19-37(6)26(27(39)23-34)10-12-31-36(5)16-15-32(35(3,4)30(36)14-17-38(31,37)7)44-33(43)13-9-25-8-11-28(41)29(42)22-25/h8-11,13,22,24,27,30-32,41-42H,12,14-21,23H2,1-7H3/b13-9+/t27-,30-,31+,32-,36-,37+,38+,39+/m0/s1 |
| InChIKey | CCZVBQHPIFLVMF-IFMOQUEQSA-N |
| Mol Weight | 602.9 g/mol |
| Molecular Formula | C39H54O5 |
| Exact Mass | 602.397125 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 6KP8IAGWYHo |
|---|---|
| Name | OLEAN-28-AL-3-BETA-YL-CAFFEATE |
| Compound Number | 4 |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C39H54O5 |
| InChI | InChI=1S/C39H54O5/c1-34(2)18-20-39(24-40)21-19-37(6)26(27(39)23-34)10-12-31-36(5)16-15-32(35(3,4)30(36)14-17-38(31,37)7)44-33(43)13-9-25-8-11-28(41)29(42)22-25/h8-11,13,22,24,27,30-32,41-42H,12,14-21,23H2,1-7H3/b13-9+/t27-,30-,31+,32-,36-,37+,38+,39+/m0/s1 |
| InChIKey | CCZVBQHPIFLVMF-IFMOQUEQSA-N |
| Literature Reference Author | B.CHEN,H.DUAN,Y.TAKAISHI |
| Literature Reference Citation | PHYTOCHEM.,51,683(1999) |
| Literature Reference DOI | 10.1016/S0031-9422(99)00079-5 |
| Molecular Weight | 602.855 g/mol |
| Solvent | C5D5N |
| Source File Reference | UWUC432 |